1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea

C14H20BrN3O — CID 110866440

IUPAC1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C)CC2)cc1Br
InChIInChI=1S/C14H20BrN3O/c1-10-3-4-12(9-13(10)15)17-14(19)16-11-5-7-18(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H2,16,17,19)
InChIKeyWVVNWHLIXJKSJW-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.97
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea

1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 110866440) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID110866440
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C)CC2)cc1Br
InChIInChI=1S/C14H20BrN3O/c1-10-3-4-12(9-13(10)15)17-14(19)16-11-5-7-18(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H2,16,17,19)
InChIKeyWVVNWHLIXJKSJW-UHFFFAOYSA-N
XLogP2.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 78874680
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
1-(3-bromo-4-methylphenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 78889744
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea (CID 110866440) is 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea is Cc1ccc(NC(=O)NC2CCN(C)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is WVVNWHLIXJKSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10-3-4-12(9-13(10)15)17-14(19)16-11-5-7-18(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea?
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 326.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 110866440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).